333750-79-1
Product Name:
2-(3,4-dimethylphenoxy)-1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
Formula:
C19H18F3N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 393.4 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 393.13002593 g/mol |
| Monoisotopic Mass | 393.13002593 g/mol |
| Topological Polar Surface Area | 75 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 607 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |